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{
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{
"id": "jvasp-65207",
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{
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{
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"structure_string": "Ag2 Bi2 Se1 S3\n1.0\n5.255809 0.005153 -4.682387\n-1.004397 5.062607 -4.786386\n-0.007033 -0.005153 7.039050\nAg Bi Se S\n2 2 1 3\ndirect\n0.993459 0.993460 -0.000001 Ag\n0.252351 0.752351 0.500000 Ag\n0.505022 0.505023 -0.000001 Bi\n0.752772 0.252771 0.500000 Bi\n0.245910 0.245910 -0.000000 Se\n0.503545 0.003544 0.500000 S\n0.749110 0.749111 -0.000001 S\n0.997831 0.497831 0.499999 S\n",
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{
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"updated_at": "2022-09-04T14:38:01.674491Z",
"structure_string": "Er2 Hg6\n1.0\n3.293282 -5.704131 -0.000000\n3.293282 5.704131 0.000000\n-0.000000 0.000000 4.977574\nEr Hg\n2 6\ndirect\n0.333333 0.666667 0.749999 Er\n0.666667 0.333333 0.250000 Er\n0.167755 0.335510 0.250000 Hg\n0.664490 0.832244 0.250000 Hg\n0.167755 0.832244 0.250000 Hg\n0.832244 0.664490 0.749999 Hg\n0.335510 0.167755 0.749999 Hg\n0.832244 0.167755 0.749999 Hg\n",
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{
"id": "jvasp-78820",
"created_at": "2022-09-04T14:36:37.184538Z",
"updated_at": "2022-09-04T14:36:37.184568Z",
"structure_string": "Pr1 Pd2\n1.0\n3.964523 -0.000000 -0.000000\n-0.000000 3.964523 -0.000000\n-1.982261 -1.982261 4.461720\nPr Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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{
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"created_at": "2022-09-04T14:37:43.529012Z",
"updated_at": "2022-09-04T14:37:43.529034Z",
"structure_string": "Ho12 S18\n1.0\n0.000000 10.131281 0.002138\n3.989965 0.000000 0.000000\n0.000000 -2.631711 -17.347403\nHo S\n12 18\ndirect\n0.549317 0.750001 0.115016 Ho\n0.811057 0.250000 0.979347 Ho\n0.188942 0.750001 0.020652 Ho\n0.124334 0.750001 0.430139 Ho\n0.170045 0.250000 0.218829 Ho\n0.829955 0.750001 0.781171 Ho\n0.875666 0.250000 0.569860 Ho\n0.187869 0.750001 0.720671 Ho\n0.513822 0.250000 0.601463 Ho\n0.486178 0.750001 0.398537 Ho\n0.450683 0.250000 0.884984 Ho\n0.812131 0.250000 0.279328 Ho\n0.993400 0.250000 0.732331 S\n0.267131 0.750001 0.873263 S\n0.732869 0.250000 0.126737 S\n0.053279 0.750001 0.575293 S\n0.946721 0.250000 0.424706 S\n0.363383 0.250000 0.718343 S\n0.636617 0.750001 0.281657 S\n0.006600 0.750001 0.267669 S\n0.320167 0.750001 0.182656 S\n0.711015 0.750001 0.630802 S\n0.047846 0.250000 0.076247 S\n0.952154 0.750001 0.923753 S\n0.679833 0.250000 0.817343 S\n0.384979 0.250000 0.033137 S\n0.632955 0.250000 0.468159 S\n0.367045 0.750001 0.531840 S\n0.288985 0.250000 0.369198 S\n0.615021 0.750001 0.966863 S\n",
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{
"id": "jvasp-67697",
"created_at": "2022-09-04T14:35:42.804932Z",
"updated_at": "2022-09-04T14:35:42.804962Z",
"structure_string": "Y2 Be1 Se1\n1.0\n4.041654 0.000000 0.000000\n0.000000 4.041654 -0.000000\n0.000000 0.000000 5.723657\nY Be Se\n2 1 1\ndirect\n0.000000 0.000000 0.875006 Y\n0.500000 0.500000 0.375009 Y\n0.000000 0.000000 0.374982 Be\n0.500000 0.500000 0.875005 Se\n",
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{
"id": "jvasp-98251",
"created_at": "2022-09-04T14:35:42.091519Z",
"updated_at": "2022-09-04T14:35:42.091546Z",
"structure_string": "Ti8 S16 Cl12 O2\n1.0\n8.686912 -0.000000 2.835099\n4.343457 8.054018 1.417549\n-0.072145 0.000000 12.670986\nTi S Cl O\n8 16 12 2\ndirect\n0.863564 0.377838 0.856737 Ti\n0.212191 0.937955 0.211279 Ti\n0.150146 0.062045 0.711279 Ti\n0.136435 0.622162 0.143264 Ti\n0.241403 0.622162 0.356736 Ti\n0.849854 0.937955 0.288721 Ti\n0.787808 0.062045 0.788722 Ti\n0.758596 0.377838 0.643264 Ti\n0.470282 0.691017 0.264331 S\n0.161298 0.308984 0.764331 S\n0.287190 0.863275 0.386145 S\n0.595365 0.577864 0.792462 S\n0.173230 0.422136 0.292462 S\n0.082474 0.859845 0.828427 S\n0.404634 0.422136 0.207538 S\n0.838701 0.691017 0.235669 S\n0.942319 0.140155 0.328427 S\n0.826770 0.577864 0.707538 S\n0.849536 0.863275 0.113856 S\n0.057680 0.859845 0.671574 S\n0.529718 0.308984 0.735670 S\n0.917525 0.140155 0.171574 S\n0.150464 0.136726 0.886145 S\n0.712810 0.136726 0.613856 S\n0.295849 0.782884 0.034431 Cl\n0.565519 0.077589 0.370087 Cl\n0.791694 0.525946 0.005699 Cl\n0.356892 0.077589 0.129913 Cl\n0.078733 0.217116 0.534431 Cl\n0.434480 0.922411 0.629913 Cl\n0.682360 0.525946 0.494301 Cl\n0.643108 0.922411 0.870088 Cl\n0.208306 0.474055 -0.005699 Cl\n0.921266 0.782884 0.465570 Cl\n0.704150 0.217116 0.965570 Cl\n0.317640 0.474055 0.505699 Cl\n0.109700 0.780600 0.250000 O\n0.890299 0.219401 0.750000 O\n",
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{
"id": "jvasp-98098",
"created_at": "2022-09-04T14:35:59.576861Z",
"updated_at": "2022-09-04T14:35:59.576882Z",
"structure_string": "Ca20 Al12 Ge18\n1.0\n10.525990 0.014833 1.573288\n1.357784 10.438060 1.573288\n0.016863 0.014833 10.642904\nCa Al Ge\n20 12 18\ndirect\n0.207286 0.500000 0.792714 Ca\n0.293708 0.706292 0.000000 Ca\n0.500000 0.207286 0.792714 Ca\n0.706292 0.293708 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.343646 0.051720 0.343646 Ca\n0.293708 -0.000000 0.706292 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.792714 0.207286 Ca\n0.792714 0.500000 0.207286 Ca\n0.948279 0.656353 0.656354 Ca\n0.656353 0.656353 0.948279 Ca\n-0.000000 0.706292 0.293708 Ca\n0.656353 0.948279 0.656354 Ca\n0.343646 0.343646 0.051721 Ca\n-0.000000 0.293708 0.706292 Ca\n0.207286 0.792714 0.500000 Ca\n0.706292 -0.000000 0.293708 Ca\n0.792714 0.207286 0.500000 Ca\n0.051720 0.343646 0.343646 Ca\n0.030678 0.316248 0.030679 Al\n0.030678 0.030678 0.316248 Al\n0.969321 0.969321 0.683752 Al\n0.500164 0.715110 0.715111 Al\n0.284889 0.499835 0.284889 Al\n0.499835 0.284889 0.284889 Al\n0.316248 0.030678 0.030679 Al\n0.683751 0.969321 0.969322 Al\n0.284889 0.284889 0.499836 Al\n0.715110 0.500164 0.715111 Al\n0.969321 0.683751 0.969322 Al\n0.715110 0.715110 0.500165 Al\n0.795818 0.118753 0.795818 Ge\n0.486190 0.813657 0.486190 Ge\n0.513810 0.186343 0.513810 Ge\n0.109227 0.109227 0.513171 Ge\n0.204182 0.204182 0.881246 Ge\n0.204182 0.881246 0.204182 Ge\n0.890772 0.486829 0.890773 Ge\n0.118753 0.795818 0.795818 Ge\n0.881246 0.204182 0.204182 Ge\n0.513171 0.109227 0.109227 Ge\n0.513810 0.513810 0.186343 Ge\n0.795818 0.795818 0.118754 Ge\n0.109227 0.513171 0.109227 Ge\n0.813657 0.486190 0.486190 Ge\n0.486190 0.486190 0.813657 Ge\n0.890772 0.890772 0.486829 Ge\n0.486829 0.890772 0.890773 Ge\n0.186343 0.513810 0.513810 Ge\n",
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{
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{
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"updated_at": "2022-09-04T14:36:01.637487Z",
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{
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]
}